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DocumentationIdentifier: MM315986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315986 |
| SMILES |
CC(C=O)CCC(F)C#N
|
| InChIKey |
LJAHFMDLRSRIBX-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM166072
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| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7174 |
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| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261629
Similarity: 0.7143
Similarity to MM261629
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8333 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
